N-(3-chloro-4-methoxyphenyl)-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzamide
N-(3-chloro-4-methoxyphenyl)-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzamide
Compound characteristics
| Compound ID: | C685-0023 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzamide |
| Molecular Weight: | 451.95 |
| Molecular Formula: | C19 H18 Cl N3 O4 S2 |
| Smiles: | COc1ccc(cc1[Cl])NC(c1cccc(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.248 |
| logD: | 3.2361 |
| logSw: | -3.7613 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.063 |
| InChI Key: | IQZBELJMQTYJPK-UHFFFAOYSA-N |